4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride

C12H15ClN2S — CID 127050709

IUPAC4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCc1sc2c(c1C1C=CNC=N1)CCC2.Cl
InChIInChI=1S/C12H14N2S.ClH/c1-8-12(10-5-6-13-7-14-10)9-3-2-4-11(9)15-8;/h5-7,10H,2-4H2,1H3,(H,13,14);1H
InChIKeyQZNRGWYLOAKBAS-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.15
Rot. Bonds1

About 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride

4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride (PubChem CID 127050709) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
PubChem CID127050709
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
SMILESCc1sc2c(c1C1C=CNC=N1)CCC2.Cl
InChIInChI=1S/C12H14N2S.ClH/c1-8-12(10-5-6-13-7-14-10)9-3-2-4-11(9)15-8;/h5-7,10H,2-4H2,1H3,(H,13,14);1H
InChIKeyQZNRGWYLOAKBAS-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The IUPAC name of 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride (CID 127050709) is 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride.
What is the SMILES notation for 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The canonical SMILES for 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride is Cc1sc2c(c1C1C=CNC=N1)CCC2.Cl.
What is the InChIKey of 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
The InChIKey is QZNRGWYLOAKBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.ClH/c1-8-12(10-5-6-13-7-14-10)9-3-2-4-11(9)15-8;/h5-7,10H,2-4H2,1H3,(H,13,14);1H.
What are the key properties of 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride?
4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride has a molecular weight of 254.79 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride is sourced from PubChem (CID 127050709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).